Molecule ID: mol16521
SMILES: CS(=O)(=O)c1cccc(-c2ccc(C[C@@H](C#N)NC(=O)C3(N)CCOCC3)cc2)c1
InChI: InChI=1S/C22H25N3O4S/c1-30(27,28)20-4-2-3-18(14-20)17-7-5-16(6-8-17)13-19(15-23)25-21(26)22(24)9-11-29-12-10-22/h2-8,14,19H,9-13,24H2,1H3,(H,25,26)/t19-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.30 | Baltruschat ChEMBL | 1 » 0 |